1-cyclohexylsulfanyl-N-methyloctan-2-amine

C15H31NS — CID 65139910

IUPAC1-cyclohexylsulfanyl-N-methyloctan-2-amine
SMILESCCCCCCC(CSC1CCCCC1)NC
InChIInChI=1S/C15H31NS/c1-3-4-5-7-10-14(16-2)13-17-15-11-8-6-9-12-15/h14-16H,3-13H2,1-2H3
InChIKeyKJMMUDKDFBAWBW-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.61
Rot. Bonds9

About 1-cyclohexylsulfanyl-N-methyloctan-2-amine

1-cyclohexylsulfanyl-N-methyloctan-2-amine (PubChem CID 65139910) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-N-methyloctan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-N-methyloctan-2-amine
PubChem CID65139910
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name1-cyclohexylsulfanyl-N-methyloctan-2-amine
SMILESCCCCCCC(CSC1CCCCC1)NC
InChIInChI=1S/C15H31NS/c1-3-4-5-7-10-14(16-2)13-17-15-11-8-6-9-12-15/h14-16H,3-13H2,1-2H3
InChIKeyKJMMUDKDFBAWBW-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentylsulfanyl-N-methyloctan-2-amine
CID 65138560
1-cyclohexylsulfanylundecan-2-amine
CID 65139901
1-cyclohexylsulfanylnonan-2-amine
CID 65139649
1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 65140058
1-cyclohexylsulfanyl-N-methyl-3-propoxypropan-2-amine
CID 79575231
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine
CID 65139959
1-cyclohexylsulfanyldecan-3-amine
CID 142946145
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
nonylsulfanylcyclohexane
CID 14783593
octadecylsulfanylcyclohexane
CID 19905552
octylsulfanylcycloheptane
CID 70441156

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-N-methyloctan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-N-methyloctan-2-amine (CID 65139910) is 1-cyclohexylsulfanyl-N-methyloctan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-N-methyloctan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-N-methyloctan-2-amine is CCCCCCC(CSC1CCCCC1)NC.
What is the InChIKey of 1-cyclohexylsulfanyl-N-methyloctan-2-amine?
The InChIKey is KJMMUDKDFBAWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-3-4-5-7-10-14(16-2)13-17-15-11-8-6-9-12-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-cyclohexylsulfanyl-N-methyloctan-2-amine?
1-cyclohexylsulfanyl-N-methyloctan-2-amine has a molecular weight of 257.49 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-N-methyloctan-2-amine is sourced from PubChem (CID 65139910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).